(2E,4E,8E)-5,9-dimethyl-N-octyl-10-oxodeca-2,4,8-trienamide

C20H33NO2 — CID 44561543

IUPAC(2E,4E,8E)-5,9-dimethyl-N-octyl-10-oxodeca-2,4,8-trienamide
SMILESCCCCCCCCNC(=O)/C=C/C=C(\C)CC/C=C(\C)C=O
InChIInChI=1S/C20H33NO2/c1-4-5-6-7-8-9-16-21-20(23)15-11-13-18(2)12-10-14-19(3)17-22/h11,13-15,17H,4-10,12,16H2,1-3H3,(H,21,23)/b15-11+,18-13+,19-14+
InChIKeyAISDLKYQNFVSMV-NMTKSAFWSA-N
MW319.49 g/mol
LogP4.89
Rot. Bonds13

About (2E,4E,8E)-5,9-dimethyl-N-octyl-10-oxodeca-2,4,8-trienamide

(2E,4E,8E)-5,9-dimethyl-N-octyl-10-oxodeca-2,4,8-trienamide (PubChem CID 44561543) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is (2E,4E,8E)-5,9-dimethyl-N-octyl-10-oxodeca-2,4,8-trienamide.

Molecular Properties

Compound Name(2E,4E,8E)-5,9-dimethyl-N-octyl-10-oxodeca-2,4,8-trienamide
PubChem CID44561543
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name(2E,4E,8E)-5,9-dimethyl-N-octyl-10-oxodeca-2,4,8-trienamide
SMILESCCCCCCCCNC(=O)/C=C/C=C(\C)CC/C=C(\C)C=O
InChIInChI=1S/C20H33NO2/c1-4-5-6-7-8-9-16-21-20(23)15-11-13-18(2)12-10-14-19(3)17-22/h11,13-15,17H,4-10,12,16H2,1-3H3,(H,21,23)/b15-11+,18-13+,19-14+
InChIKeyAISDLKYQNFVSMV-NMTKSAFWSA-N
XLogP4.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,8E)-5,9-dimethyl-N-octyl-10-oxodeca-2,4,8-trienamide?
The IUPAC name of (2E,4E,8E)-5,9-dimethyl-N-octyl-10-oxodeca-2,4,8-trienamide (CID 44561543) is (2E,4E,8E)-5,9-dimethyl-N-octyl-10-oxodeca-2,4,8-trienamide.
What is the SMILES notation for (2E,4E,8E)-5,9-dimethyl-N-octyl-10-oxodeca-2,4,8-trienamide?
The canonical SMILES for (2E,4E,8E)-5,9-dimethyl-N-octyl-10-oxodeca-2,4,8-trienamide is CCCCCCCCNC(=O)/C=C/C=C(\C)CC/C=C(\C)C=O.
What is the InChIKey of (2E,4E,8E)-5,9-dimethyl-N-octyl-10-oxodeca-2,4,8-trienamide?
The InChIKey is AISDLKYQNFVSMV-NMTKSAFWSA-N. The full InChI is InChI=1S/C20H33NO2/c1-4-5-6-7-8-9-16-21-20(23)15-11-13-18(2)12-10-14-19(3)17-22/h11,13-15,17H,4-10,12,16H2,1-3H3,(H,21,23)/b15-11+,18-13+,19-14+.
What are the key properties of (2E,4E,8E)-5,9-dimethyl-N-octyl-10-oxodeca-2,4,8-trienamide?
(2E,4E,8E)-5,9-dimethyl-N-octyl-10-oxodeca-2,4,8-trienamide has a molecular weight of 319.49 g/mol, XLogP of 4.89, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8E)-5,9-dimethyl-N-octyl-10-oxodeca-2,4,8-trienamide is sourced from PubChem (CID 44561543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).